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	hartrees
Energy at 0K	-192.252639
Energy at 298.15K	-192.258998
HF Energy	-191.852564
Nuclear repulsion energy	118.411990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3627	3446	12.55
2	A'	3283	3119	13.22
3	A'	3181	3023	4.56
4	A'	3170	3012	17.09
5	A'	3072	2919	14.18
6	A'	1722	1636	67.16
7	A'	1572	1493	11.16
8	A'	1511	1435	2.20
9	A'	1485	1411	14.83
10	A'	1395	1326	6.98
11	A'	1205	1145	135.46
12	A'	1059	1006	30.80
13	A'	986	937	26.64
14	A'	846	804	18.73
15	A'	473	450	20.33
16	A'	412	392	2.34
17	A"	3152	2995	15.82
18	A"	1546	1469	7.49
19	A"	1134	1078	1.30
20	A"	809	769	82.97
21	A"	722	686	10.45
22	A"	486	462	0.05
23	A"	431	409	172.35
24	A"	165	157	1.67

Atom	x (Å)	y (Å)	z (Å)
C1	1.098	-0.927	0.000
C2	0.000	0.104	0.000
C3	0.158	1.447	0.000
O4	-1.266	-0.539	0.000
H5	2.080	-0.438	0.000
H6	1.017	-1.569	0.887
H7	1.017	-1.569	-0.887
H8	1.152	1.886	0.000
H9	-0.686	2.136	0.000
H10	-1.993	0.120	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5063	2.5532	2.3955	1.0966	1.0980	1.0980	2.8135	3.5448	3.2640
C2	1.5063		1.3523	1.4192	2.1493	2.1490	2.1490	2.1218	2.1447	1.9935
C3	2.5532	1.3523		2.4431	2.6918	3.2584	3.2584	1.0861	1.0899	2.5281
O4	2.3955	1.4192	2.4431		3.3469	2.6565	2.6565	3.4236	2.7365	0.9812
H5	1.0966	2.1493	2.6918	3.3469		1.7875	1.7875	2.5026	3.7785	4.1112
H6	1.0980	2.1490	3.2584	2.6565	1.7875		1.7747	3.5692	4.1726	3.5634
H7	1.0980	2.1490	3.2584	2.6565	1.7875	1.7747		3.5692	4.1726	3.5634
H8	2.8135	2.1218	1.0861	3.4236	2.5026	3.5692	3.5692		1.8547	3.6072
H9	3.5448	2.1447	1.0899	2.7365	3.7785	4.1726	4.1726	1.8547		2.4031
H10	3.2640	1.9935	2.5281	0.9812	4.1112	3.5634	3.5634	3.6072	2.4031

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.468	C1	C2	O4	109.897
C2	C1	H5	110.339	C2	C1	H6	110.228
C2	C1	H7	110.228	C2	C3	H8	120.566
C2	C3	H9	122.493	C2	O4	H10	110.971
C3	C2	O4	123.635	H5	C1	H6	109.080
H5	C1	H7	109.080	H6	C1	H7	107.832
H8	C3	H9	116.941

All results from a given calculation for C₃H₆O (Acetone enol)

using model chemistry: MP2=FULL/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H6O (Acetone enol)

using model chemistry: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₃H₆O (Acetone enol)